(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanol

C16H23ClO2 — CID 107181861

IUPAC(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanol
SMILESCOc1ccc(Cl)cc1C(O)C1CCCCC1(C)C
InChIInChI=1S/C16H23ClO2/c1-16(2)9-5-4-6-13(16)15(18)12-10-11(17)7-8-14(12)19-3/h7-8,10,13,15,18H,4-6,9H2,1-3H3
InChIKeyXSGUROYLZXJIRF-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.60
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanol

(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanol (PubChem CID 107181861) has the molecular formula C16H23ClO2 and a molecular weight of 282.81 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanol.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanol
PubChem CID107181861
Molecular FormulaC16H23ClO2
Molecular Weight282.81 g/mol
Exact Mass282.14
IUPAC Name(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanol
SMILESCOc1ccc(Cl)cc1C(O)C1CCCCC1(C)C
InChIInChI=1S/C16H23ClO2/c1-16(2)9-5-4-6-13(16)15(18)12-10-11(17)7-8-14(12)19-3/h7-8,10,13,15,18H,4-6,9H2,1-3H3
InChIKeyXSGUROYLZXJIRF-UHFFFAOYSA-N
XLogP4.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107178190
(2,2-dimethylcyclohexyl)-(2-methoxyphenyl)methanol
CID 107191971
[(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methyl]hydrazine
CID 107193744
(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107181647
(5-chloro-2-methoxyphenyl)-cyclooctylmethanol
CID 80603904
(3-bromo-2,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107181873
(2,2-dimethylcyclopentyl)-(4-methoxynaphthalen-1-yl)methanol
CID 107181495
2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine
CID 107188374
(2,2-dimethylcyclohexyl)-(2-ethoxyphenyl)methanol
CID 107192228
(5-chloro-2-methoxyphenyl)-(2-methylcyclopropyl)methanol
CID 65420387
(5-chloro-2-methoxyphenyl)-(1-methoxycycloheptyl)methanol
CID 116756025
(3-chloro-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107177072

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanol?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanol (CID 107181861) is (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanol.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanol?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanol is COc1ccc(Cl)cc1C(O)C1CCCCC1(C)C.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanol?
The InChIKey is XSGUROYLZXJIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO2/c1-16(2)9-5-4-6-13(16)15(18)12-10-11(17)7-8-14(12)19-3/h7-8,10,13,15,18H,4-6,9H2,1-3H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanol?
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanol has a molecular weight of 282.81 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanol is sourced from PubChem (CID 107181861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).